Crystallography Open Database

Information card for entry 4346793

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Structure parameters

Formula	C87.5 H108 B Cl Cu N8
Calculated formula	C87.5 H108 B Cl Cu N8
SMILES	[Cu](N(C(=N\c1c(cccc1C(C)C)C(C)C)\c1n(cc[n+]1C)C)c1c(cccc1C(C)C)C(C)C)N(C(=N\c1c(cccc1C(C)C)C(C)C)\c1n(cc[n+]1C)C)c1c(cccc1C(C)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.ClCCl
Title of publication	Copper(I) Complexes of Zwitterionic Imidazolium-2-Amidinates, a Promising Class of Electroneutral, Amidinate-Type Ligands.
Authors of publication	Márquez, Astrid; Ávila, Elena; Urbaneja, Carmen; Álvarez, Eleuterio; Palma, Pilar; Cámpora, Juan
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	11007 - 11017
a	32.739 ± 0.003 Å
b	26.39 ± 0.003 Å
c	18.644 ± 0.002 Å
α	90°
β	91.556 ± 0.003°
γ	90°
Cell volume	16102 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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